CID 211420

Succinanilic acid, 4'-sulfanilamido-

Structural Information

Molecular Formula
C16H17N3O5S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)CCC(=O)O
InChI
InChI=1S/C16H17N3O5S/c17-11-1-7-14(8-2-11)25(23,24)19-13-5-3-12(4-6-13)18-15(20)9-10-16(21)22/h1-8,19H,9-10,17H2,(H,18,20)(H,21,22)
InChIKey
GWEOSLXSLNWSDS-UHFFFAOYSA-N
Compound name
4-[4-[(4-aminophenyl)sulfonylamino]anilino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0889 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09618 180.0
[M+Na]+ 386.07812 184.2
[M-H]- 362.08162 184.4
[M+NH4]+ 381.12272 190.1
[M+K]+ 402.05206 180.0
[M+H-H2O]+ 346.08616 171.5
[M+HCOO]- 408.08710 197.2
[M+CH3COO]- 422.10275 215.9
[M+Na-2H]- 384.06357 182.5
[M]+ 363.08835 179.9
[M]- 363.08945 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.